methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid

C15H29O5P — CID 164973932

IUPACmethyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCOP(C)(=O)O
InChIInChI=1S/C15H29O5P/c1-14(2)15(16)19-12-10-8-6-4-5-7-9-11-13-20-21(3,17)18/h1,4-13H2,2-3H3,(H,17,18)
InChIKeyXMPSEYXLOLDCBE-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.06
Rot. Bonds13

About methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid

methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid (PubChem CID 164973932) has the molecular formula C15H29O5P and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
PubChem CID164973932
Molecular FormulaC15H29O5P
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Namemethyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
SMILESC=C(C)C(=O)OCCCCCCCCCCOP(C)(=O)O
InChIInChI=1S/C15H29O5P/c1-14(2)15(16)19-12-10-8-6-4-5-7-9-11-13-20-21(3,17)18/h1,4-13H2,2-3H3,(H,17,18)
InChIKeyXMPSEYXLOLDCBE-UHFFFAOYSA-N
XLogP4.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

18-dihydroxyphosphinothioyloxyoctadecyl 2-methylprop-2-enoate
CID 22708493
calcium 6-(2-methylprop-2-enoyloxy)hexyl phosphate
CID 122612776
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
potassium bis[4-(2-methylprop-2-enoyloxy)butyl] phosphate
CID 122611569
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
2-[hydroxy-[5-(2-methylprop-2-enoyloxy)pentoxy]phosphoryl]oxyethyl-trimethylazanium
CID 19378254
triethyl-[3-[hydroxy-[4-(2-methylprop-2-enoyloxy)butoxy]phosphoryl]oxypropyl]azanium
CID 87835424
[1-[6-(2-methylprop-2-enoyloxy)hexoxy]-1-oxopropan-2-yl]phosphonic acid
CID 176795551

Frequently Asked Questions

What is the IUPAC name of methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid?
The IUPAC name of methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid (CID 164973932) is methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid.
What is the SMILES notation for methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid?
The canonical SMILES for methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid is C=C(C)C(=O)OCCCCCCCCCCOP(C)(=O)O.
What is the InChIKey of methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid?
The InChIKey is XMPSEYXLOLDCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O5P/c1-14(2)15(16)19-12-10-8-6-4-5-7-9-11-13-20-21(3,17)18/h1,4-13H2,2-3H3,(H,17,18).
What are the key properties of methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid?
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid has a molecular weight of 320.37 g/mol, XLogP of 4.06, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid is sourced from PubChem (CID 164973932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).